(carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate


CAS No. : 18434-76-9

(carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate,18434-76-9
Product Details
Cat No:M075265
Synonyms:(carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate
Molecular Formula:C29H45NO7
Molecular Weight:519.679
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Cat No:M075265
Cas No:18434-76-9
Product-Name:(carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate
IUPAC Name:carboxymethyl(trimethyl)azanium;(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChI:InChI=1S/C24H34O5.C5H11NO2/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5(7)8/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);4H2,1-3H3/t13-,14?,16-,17+,18+,22+,23+,24-;/m1./s1
InChIKey:YNVSAIFCSHZUCV-PCUWZHPXSA-N
SMILES:CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.C[N+](C)(C)CC(=O)O
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